6G5G
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Botulinum neurotoxin type B | polymer | 1291 | 151066.8 | 2 | UniProt (P10844) Pfam (PF01742) Pfam (PF07952) Pfam (PF07953) Pfam (PF07951) | Clostridium botulinum | BoNT/B,Bontoxilysin-B |
| 2 | C (P) | Synaptotagmin-2 | polymer | 21 | 2502.8 | 1 | UniProt (Q8N9I0) | Homo sapiens | Synaptotagmin II,SytII |
| 3 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | F, G (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 6 | H (B) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 7 | I (B) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 8 | J, K, L, M (B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 9 | N, O, P (A, B, P) | water | water | 18.0 | 788 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 1291 (UniProt: P10844)
| PDB | External Database | Details |
|---|---|---|
| Gln 231 | Glu 231 | engineered mutation |
| Tyr 234 | His 234 | engineered mutation |
| Met 1191 | Glu 1191 | conflict |
| Tyr 1199 | Ser 1199 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 304636.4 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 848.2 | |
| All* | Total formula weight | 305484.6 |
